>compound Oenin_Oenin
#instrument UPLC Q-Tof Premier, Waters
>formula C23H25O12
#smiles OCC(O1)C(O)C(O)C(O)C1Oc(c3)c([o+1]c(c4)c(c(O)cc(O)4)3)c(c2)cc(OC)c(O)c(OC)2
#RECORD LC-ESI-QTOF_train_data/PR100791.txt;LC-ESI-QTOF_train_data/PR100347.txt
>charge -1
>ionization [M-2H]-
>parentmass 491.11897

>collision 5-60
214.0277 162.2
226.0278 101.3
242.0219 123.2
254.0233 118.1
270.018 155.3
271.0252 117.5
299.0202 165.2
313.0368 480.4
314.0444 219.0
328.0599 541.3
329.067 975.6
491.119 501.1

>collision 5-60
287.0582 821.5
315.0533 1374.0
331.0827 6741.0
493.1346 1305.0

